1-[[1-(2-methoxy-5-methylphenyl)cyclopropyl]methyl]piperazine

C16H24N2O — CID 82132905

IUPAC1-[[1-(2-methoxy-5-methylphenyl)cyclopropyl]methyl]piperazine
SMILESCOc1ccc(C)cc1C1(CN2CCNCC2)CC1
InChIInChI=1S/C16H24N2O/c1-13-3-4-15(19-2)14(11-13)16(5-6-16)12-18-9-7-17-8-10-18/h3-4,11,17H,5-10,12H2,1-2H3
InChIKeyPCNYOKYEIJAGJA-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.94
Rot. Bonds4

About 1-[[1-(2-methoxy-5-methylphenyl)cyclopropyl]methyl]piperazine

1-[[1-(2-methoxy-5-methylphenyl)cyclopropyl]methyl]piperazine (PubChem CID 82132905) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[[1-(2-methoxy-5-methylphenyl)cyclopropyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[1-(2-methoxy-5-methylphenyl)cyclopropyl]methyl]piperazine
PubChem CID82132905
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[[1-(2-methoxy-5-methylphenyl)cyclopropyl]methyl]piperazine
SMILESCOc1ccc(C)cc1C1(CN2CCNCC2)CC1
InChIInChI=1S/C16H24N2O/c1-13-3-4-15(19-2)14(11-13)16(5-6-16)12-18-9-7-17-8-10-18/h3-4,11,17H,5-10,12H2,1-2H3
InChIKeyPCNYOKYEIJAGJA-UHFFFAOYSA-N
XLogP1.94
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82083196
2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357
1-[[1-(3-methylphenyl)cyclopentyl]methyl]piperazine
CID 82132559
N-[[2-(2-methoxy-5-methylphenyl)spiro[3.3]heptan-2-yl]methyl]ethanamine
CID 65009660
1-[1-(2-methoxy-5-methylphenyl)cyclopentyl]-N-methylmethanamine
CID 62596778
1-[1-(2-methoxy-5-methylphenyl)cyclobutyl]-N-methylmethanamine
CID 62596777
2-[1-(2-methoxy-5-methylphenyl)cyclopentyl]ethanamine
CID 82082897
3-(2-methoxy-5-methylphenyl)-2,2,3-trimethylpyrrolidine
CID 62355607
N-[[5-(2-methoxy-5-methylphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine
CID 65008712
2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
CID 82090822
4-(2-methoxy-5-methylphenyl)-1-propylpiperidin-4-ol
CID 55120385
1-(2-methoxy-4-methylphenyl)piperazine
CID 10488507

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxy-5-methylphenyl)cyclopropyl]methyl]piperazine?
The IUPAC name of 1-[[1-(2-methoxy-5-methylphenyl)cyclopropyl]methyl]piperazine (CID 82132905) is 1-[[1-(2-methoxy-5-methylphenyl)cyclopropyl]methyl]piperazine.
What is the SMILES notation for 1-[[1-(2-methoxy-5-methylphenyl)cyclopropyl]methyl]piperazine?
The canonical SMILES for 1-[[1-(2-methoxy-5-methylphenyl)cyclopropyl]methyl]piperazine is COc1ccc(C)cc1C1(CN2CCNCC2)CC1.
What is the InChIKey of 1-[[1-(2-methoxy-5-methylphenyl)cyclopropyl]methyl]piperazine?
The InChIKey is PCNYOKYEIJAGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-3-4-15(19-2)14(11-13)16(5-6-16)12-18-9-7-17-8-10-18/h3-4,11,17H,5-10,12H2,1-2H3.
What are the key properties of 1-[[1-(2-methoxy-5-methylphenyl)cyclopropyl]methyl]piperazine?
1-[[1-(2-methoxy-5-methylphenyl)cyclopropyl]methyl]piperazine has a molecular weight of 260.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxy-5-methylphenyl)cyclopropyl]methyl]piperazine is sourced from PubChem (CID 82132905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).